2-(2-bromophenyl)-1-(2-chloro-3-fluorophenyl)propan-2-amine

C15H14BrClFN — CID 112653207

IUPAC2-(2-bromophenyl)-1-(2-chloro-3-fluorophenyl)propan-2-amine
SMILESCC(N)(Cc1cccc(F)c1Cl)c1ccccc1Br
InChIInChI=1S/C15H14BrClFN/c1-15(19,11-6-2-3-7-12(11)16)9-10-5-4-8-13(18)14(10)17/h2-8H,9,19H2,1H3
InChIKeyFKOGNYMOGWNOIA-UHFFFAOYSA-N
MW342.64 g/mol
LogP4.66
Rot. Bonds3

About 2-(2-bromophenyl)-1-(2-chloro-3-fluorophenyl)propan-2-amine

2-(2-bromophenyl)-1-(2-chloro-3-fluorophenyl)propan-2-amine (PubChem CID 112653207) has the molecular formula C15H14BrClFN and a molecular weight of 342.64 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-(2-chloro-3-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-(2-chloro-3-fluorophenyl)propan-2-amine
PubChem CID112653207
Molecular FormulaC15H14BrClFN
Molecular Weight342.64 g/mol
Exact Mass341.00
IUPAC Name2-(2-bromophenyl)-1-(2-chloro-3-fluorophenyl)propan-2-amine
SMILESCC(N)(Cc1cccc(F)c1Cl)c1ccccc1Br
InChIInChI=1S/C15H14BrClFN/c1-15(19,11-6-2-3-7-12(11)16)9-10-5-4-8-13(18)14(10)17/h2-8H,9,19H2,1H3
InChIKeyFKOGNYMOGWNOIA-UHFFFAOYSA-N
XLogP4.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.64
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-bis(2-bromophenyl)propan-2-amine
CID 54919156
2-(2,3-dichlorophenyl)-1-(2-fluorophenyl)propan-2-amine
CID 114833591
1-(2-chlorophenyl)-2-(2-fluorophenyl)propan-2-amine
CID 60797963
2-(2-bromophenyl)-1-(4-fluoro-2-methylphenyl)propan-2-amine
CID 114347080
2-(2-bromophenyl)-1-(3-fluorophenyl)propan-2-amine
CID 60799082
1-(3-bromo-4-fluorophenyl)-2-(2-bromophenyl)propan-2-amine
CID 63408536
1-(3-bromo-2,6-difluorophenyl)-2-(2-bromophenyl)propan-2-amine
CID 106265824
3-[(2-chloro-3-fluorophenyl)methyl]-2-methylpentan-3-amine
CID 112653213
2-(2-bromophenyl)-1-(3-chloro-2-fluorophenyl)propan-2-ol
CID 102856814
1-(2-chloro-3-fluorophenyl)-2-phenylpropan-2-ol
CID 112652939
1-(2-bromophenyl)-1-(2-fluorophenyl)ethanamine
CID 62500949
2-(4-bromophenyl)-1-(2-chloro-3-fluorophenyl)propan-2-ol
CID 112652949

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-(2-chloro-3-fluorophenyl)propan-2-amine?
The IUPAC name of 2-(2-bromophenyl)-1-(2-chloro-3-fluorophenyl)propan-2-amine (CID 112653207) is 2-(2-bromophenyl)-1-(2-chloro-3-fluorophenyl)propan-2-amine.
What is the SMILES notation for 2-(2-bromophenyl)-1-(2-chloro-3-fluorophenyl)propan-2-amine?
The canonical SMILES for 2-(2-bromophenyl)-1-(2-chloro-3-fluorophenyl)propan-2-amine is CC(N)(Cc1cccc(F)c1Cl)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-1-(2-chloro-3-fluorophenyl)propan-2-amine?
The InChIKey is FKOGNYMOGWNOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFN/c1-15(19,11-6-2-3-7-12(11)16)9-10-5-4-8-13(18)14(10)17/h2-8H,9,19H2,1H3.
What are the key properties of 2-(2-bromophenyl)-1-(2-chloro-3-fluorophenyl)propan-2-amine?
2-(2-bromophenyl)-1-(2-chloro-3-fluorophenyl)propan-2-amine has a molecular weight of 342.64 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-(2-chloro-3-fluorophenyl)propan-2-amine is sourced from PubChem (CID 112653207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).